9GRA
Homodimer of BACH1 BTB domain in complex with 2-Methyl-2,4-pentanediol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-08 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9999415 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.129, 69.459, 64.867 |
| Unit cell angles | 90.00, 91.86, 90.00 |
Refinement procedure
| Resolution | 64.830 - 1.470 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.299 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.830 | 1.490 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 47040 | 2340 |
| <I/σ(I)> | 5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.1 | 5 |
| CC(1/2) | 0.993 | 0.333 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | 0.16 M Ammonium sulfate, 0.08 M Tris-HCl, 14.4 % (w/v) PEG3350, 6 % (v/v) MPD |
